SCHEMBL4034715

SCHEMBL4034715

CC(C)(Oc1ccccc1CCO)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MGLL Q99685 1/20 0.46
PPARG P37231 13/20 0.45
NPSR1 Q6W5P4 1/20 0.41
PPARD Q03181 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4033438 0.86 KDM4E (0.53) PPARAKDM4EALDH1A1HSD17B10MGLL
SCHEMBL1010961 0.86 TAAR1 (0.53) PPARAKDM4EALDH1A1HSD17B10MGLL
SCHEMBL29224676 0.85 KDM4E (0.58) PPARAKDM4EALDH1A1HSD17B10MGLL
SCHEMBL2441914 0.83 KDM4E (0.50) PPARAKDM4EALDH1A1HSD17B10MGLL
SCHEMBL2439441 0.83 KDM4E (0.50) PPARAKDM4EALDH1A1HSD17B10MGLL
SCHEMBL5795204 0.82 KDM4E (0.55) PPARAKDM4EALDH1A1HSD17B10MGLL
SCHEMBL5794671 0.82 KDM4E (0.55) PPARAKDM4EALDH1A1HSD17B10MGLL
SCHEMBL3284352 0.82 FBP1 (0.52) PPARAPPARGCYP1A2CYP3A4
SCHEMBL8053756 0.81 TAAR1 (0.40) PPARAALDH1A1NPSR1MTNR1AMTNR1B
SCHEMBL28489848 0.81 KDM4E (0.48) PPARAKDM4EALDH1A1HSD17B10MGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 EP disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed